Re: [spctools-discuss] PepXML Schema v1.23

2024-02-19 Thread 'Luis Mendoza' via spctools-discuss
Hello Max, Thank you for bringing this to our attention. I have added the file and updated the wiki. Cheers, --Luis On Sat, Feb 17, 2024 at 9:20 AM Max Brazhnikov wrote: > Hi all, > > pepXML_v123.xsd was committed almost two years ago [1], however pepXML > wiki page [2] has ceased at v1.22,

Re: [spctools-discuss] PepXML > spectrum > top hits viewer issue - Comet

2024-02-19 Thread 'Luis Mendoza' via spctools-discuss
Hi Sam, It does sound like potentially an issue with the mzML file path(s) inside the comet pepXML results, though there could be other issues. As for troubleshooting, you can inspect the URL of those troublesome links and look for the Dta= (or File=) parameter -- is the filepath the same that

Re: [spctools-discuss] Trouble converting Waters.RAW with TPP msconvert

2024-01-24 Thread 'Luis Mendoza' via spctools-discuss
Hello Alex, Glad that you were able to get to the bottom of this issue and hope you have been able to process your data. I just wanted to add that when installing TPP on Windows, the entire ProteoWizard set of tools (including msConvert GUI) is also bundled -- so there is typically no need to

Re: [spctools-discuss] TPP installation tutorials 404 errors?

2024-01-12 Thread 'Luis Mendoza' via spctools-discuss
Hi Will, Thanks for the reply and extra info. This strange redirects may be connected to IT changes that took place recently; I'll follow up with them. --Luis On Fri, Jan 12, 2024 at 9:57 AM Will Comstock wrote: > Thanks Luis, your direct link works for me! > > Looks like clicking the

Re: [spctools-discuss] Problem with PeptideProphet

2023-08-01 Thread 'Luis Mendoza' via spctools-discuss
Hello Tanmay, How did you generate the input pepXML files? Which search engine did you use? Are you able to open both of those files and verify that they have results? Can you process results from another search engine (e.g. Comet or X!Tandem) of the same mzML data? Cheers, --Luis On Wed, Jul

Re: [spctools-discuss] converting prot.xml to tsv/something else

2023-08-01 Thread 'Luis Mendoza' via spctools-discuss
Hi Emma, The ProtXMLViewer is under the cgi-bin/ directory of the image. However, the version in 6.2.0 does not have the command-line capability of exporting protXML to TSV. We introduced this feature in 6.3.0, and will be available once we produce the related image. (well, after fixing some

Re: [spctools-discuss] Variable mod query in COMET

2023-07-31 Thread 'Luis Mendoza' via spctools-discuss
This should already be possible with, e.g. variable_mod02 = 40.000 C 0 3 -1 0 0 0.0 add_C_cysteine = 50.000 (Of course using whatever masses are appropriate.) Or does this not work? On Mon, Jul 31, 2023 at 9:31 PM Debojyoti Pal wrote: > Thanks Luis. I have asked this on the COMET group as

Re: [spctools-discuss] Variable mod query in COMET

2023-07-31 Thread 'Luis Mendoza' via spctools-discuss
Hi Debojyoti, Yes, I would say this is the most straightforward way of conducting this search. Note that you may need to make further adjustments to the variable mod string settings if, say, a given peptide must have *all* of its Cysteines in one state (+50) or the other (+90). The default is to

Re: [spctools-discuss] Access to Mascot file results

2023-07-26 Thread 'Luis Mendoza' via spctools-discuss
Hello Carlo, I recall seeing a report like this years ago, and I think it has to do with configuring the Mascot server to open its port. I forget the details of how this is done, and we don't have a Mascot server in-house where we can test; perhaps someone else is able to provide help on this.

Re: [spctools-discuss] Re: Upcoming Trans-Proteomic Pipeline (TPP) course

2023-07-21 Thread 'Luis Mendoza' via spctools-discuss
ear Luis, > > Please send the link of the registration form. > > Regards > > On Fri, Jul 21, 2023 at 1:42 PM 'Luis Mendoza' via spctools-discuss < > spctools-discuss@googlegroups.com> wrote: > >> Hello Emma, Manuela, and others interested in attending virtually, &g

Re: [spctools-discuss] Re: Upcoming Trans-Proteomic Pipeline (TPP) course

2023-07-21 Thread 'Luis Mendoza' via spctools-discuss
Hello Emma, Manuela, and others interested in attending virtually, We have decided to provide a remote option to attend the course via Zoom on a limited basis. Please fill out and send me the registration form, and note in the comments that you would like this option. Please do note the

Re: [spctools-discuss] Re: Next proteomics informatics course?

2023-07-18 Thread 'Luis Mendoza' via spctools-discuss
ity rules) on such > short notice. > Thanks, > Don > > On Tue, Jul 18, 2023 at 3:44 PM 'Luis Mendoza' via spctools-discuss < > spctools-discuss@googlegroups.com> wrote: > >> Hello all, >> Based on the survey of dates that Eric sent out, we will hold a short TPP >> c

Re: [spctools-discuss] Re: Next proteomics informatics course?

2023-07-18 Thread 'Luis Mendoza' via spctools-discuss
Hello all, Based on the survey of dates that Eric sent out, we will hold a short TPP course next week, July 26 - 28, at ISB. We will send a link to registration and more info in the next couple of days, but expect to go 8am - 4:30pm on those three days. Hope this date works for most of you! --Luis

Re: [spctools-discuss] TPP Tandem input files

2023-06-19 Thread 'Luis Mendoza' via spctools-discuss
Hello Emma, According to this, X!Tandem is indeed able to process MGF files: https://www.thegpm.org/tandem/tandem_install_faq.html#faq6 Do note that the TPP GUI (Petunia) only allows you to choose mzML/mzXML files as input, so you will have to run via the command-line. Also, any downstream TPP

[spctools-discuss] TPP @ ASMS 2023 -- Posters, Tuesday Workshop, and Bioinformatics Hub

2023-06-02 Thread 'Luis Mendoza' via spctools-discuss
Hello everyone, Next week the TPP software tools team will be attending and giving several presentations at ASMS in Houston. Please feel free to find us and say hello to me (Luis), David, and Michael, and bring your PeptideAtlas/TPP-related software and/or installation questions. We also have

[spctools-discuss] TPP 6.3.0 Release is now available

2023-05-04 Thread 'Luis Mendoza' via spctools-discuss
Announcing the official release of Trans-Proteomic Pipeline (TPP) 6.3.0 "Arcus" We are proud to offer a major update to the Trans-Proteomic Pipeline (TPP) software, release 6.3.0. The software is available for Windows as well as Linux from all the usual locations (please see the section below,

Re: [spctools-discuss] protein validation

2023-05-02 Thread 'Luis Mendoza' via spctools-discuss
Hello Felipe, There may be several reasons why you see the viral protein in your analysis, e.g. - Did you only run Comet, or did you validate using the TPP/Prophets? If the latter, what was the probability of the protein(s) in question? - What were the contents of the database that you

Re: [spctools-discuss] Problem with PTMprophet

2023-04-28 Thread 'Luis Mendoza' via spctools-discuss
gt; > Felipe > > El vie, 28 abr 2023 a las 4:58, 'Luis Mendoza' via spctools-discuss (< > spctools-discuss@googlegroups.com>) escribió: > >> Hello Felipe, >> >> It is in general not normal to not find "any results" with TPP when other >>

Re: [spctools-discuss] Problem with PTMprophet

2023-04-28 Thread 'Luis Mendoza' via spctools-discuss
Hello Felipe, It is in general not normal to not find "any results" with TPP when other platforms do find some, as there is often partial, if not significant, overlap. Typically when no results are found, it points to either bad data (presumably not in this case) or incorrect parameters

Re: [spctools-discuss] SILAC quantification with targeted SIM

2023-04-07 Thread 'Luis Mendoza' via spctools-discuss
Hi Will, Glad you got this to work! A potentially quicker solution is to enter those extra flags in the "additional options" box in Petunia: [image: image.png] You can find a full set of available options at the Proteowizard msconvert info page:

Re: [spctools-discuss] Re: Output sequence coverage info

2023-03-28 Thread 'Luis Mendoza' via spctools-discuss
Sure thing. And to answer your original question: there is a command-line tool in TPP called batchcoverage (look in the bin/ directory) that calculates this residue coverage -- and is the one used by ProteinProphet to populate that attribute in protXML. It needs an input file of the form:

Re: [spctools-discuss] Re: Output sequence coverage info

2023-03-28 Thread 'Luis Mendoza' via spctools-discuss
Hello Yasir, We have recently identified a bug in ProteinProphet that mis-reports the coverage as zero for all proteins. This affects TPP versions 6.1.0 and 6.2.0. We will be releasing an update soon that corrects this and other bugs. Even then, the value that is reported in protXML is the

[spctools-discuss] TPP 6.2.0 Release is now available

2023-02-16 Thread 'Luis Mendoza' via spctools-discuss
Announcing the official release of Trans-Proteomic Pipeline (TPP) 6.2.0 "Nacreous" We are proud to offer a major update to the Trans-Proteomic Pipeline (TPP) software, release 6.2.0. The software is available for Windows as well as Linux from all the usual locations (please see the section

Re: [spctools-discuss] Analyzing Metaproteomic Data

2023-02-14 Thread 'Luis Mendoza' via spctools-discuss
Hello, The version of msconvert that is shipped with TPP is a couple of years old and does not know about that instrument. You have three options to convert your files: 1. Download and install a newer version of ProteoWizard, run the conversion, and use that mzML file in Comet. This is likely

Re: [spctools-discuss] protein prophet failing on Eclipse searches

2022-11-29 Thread 'Luis Mendoza' via spctools-discuss
Hi, Congrats on the new instrument, and happy holidays as well! The error seems to indicate that there is no input data for ProteinProphet to work with; can you verify that the input file contains validated search results with probabilities above 0.2 ? Are there any other errors or warnings in

Re: [spctools-discuss] Xpress ratio in pepXML do not match those in XPressPeptideUpdateParser.cgi

2022-10-29 Thread 'Luis Mendoza' via spctools-discuss
Hello, That is quite odd; Are you able to share a pepXML file so we can troubleshoot? You can contact me directly to arrange a file transfer. Thanks, --Luis On Tue, Oct 18, 2022 at 12:21 PM 2kl...@gmail.com <2kl...@gmail.com> wrote: > Hi all, > > I am using the TPP v6.1.0 Parhelion, Build

Re: [spctools-discuss] Windows 11 Compatibility

2022-10-13 Thread 'Luis Mendoza' via spctools-discuss
Hi Will, We tested it on Windows 11 a few months ago and noticed no issues. Please do let us know if you run into any. Cheers, --Luis On Thu, Oct 13, 2022 at 12:24 PM Will Comstock wrote: > Hi all, > > Very quick question: Is the TPP 6.1.0 fully compatible with Windows 11? > > Thanks! > -Will

Re: [spctools-discuss] Libra quantification on TMT 16-plex returns zeros only

2022-09-09 Thread 'Luis Mendoza' via spctools-discuss
rgetMS level = “3”). The quantification works now. Thanks > for your help!!! > > Cheers, > Yasir > > On Sep 8, 2022, at 6:15 PM, 'Luis Mendoza' via spctools-discuss < > spctools-discuss@googlegroups.com> wrote: > > Hi Yasir, > Is your data Thermo SPS where the report

Re: [spctools-discuss] Libra quantification on TMT 16-plex returns zeros only

2022-09-08 Thread 'Luis Mendoza' via spctools-discuss
Hello Yasir, Can you try re-running Libra without the centroiding option? (i.e. set type="0") Or are your mzML data not centroided? Another thing to try: are you able to open the PeptideProphet + Libra results in the PepXMLViewer? You should be able to see if there are a significant number of

Re: [spctools-discuss] Tandem Analysis

2022-08-04 Thread 'Luis Mendoza' via spctools-discuss
Hello Priti, You can specify non-enzymatic cleavage by setting the *protein, cleavage site* parameter to *[X]|[X]* . More info at the X!Tandem site: https://www.thegpm.org/TANDEM/api/pcs.html https://www.thegpm.org/TANDEM/api/pcsemi.html Hope this helps, --Luis On Wed, Aug 3, 2022 at 10:59 PM

Re: [spctools-discuss] Comet Params file for MS2 and MS3 TMT11-plex, comet won't load any spectra when mslevel=3

2022-07-19 Thread 'Luis Mendoza' via spctools-discuss
Hello, It seems that your issue may be caused by this parameter: ms_level = 2-3 # MS level to analyze, valid are levels 2 (default) or 3 Please specify it as a single value, e.g. ms_level = *3* # MS level to analyze, valid are levels 2 (default)

Re: [spctools-discuss] account management

2022-06-14 Thread 'Luis Mendoza' via spctools-discuss
Hi Malcolm, Yes, those instructions for adding new accounts are still valid; I find it simplest to follow the ones under your second link ("TPP Login Credentials"). Please do note that those passwords are only as secure as the server protocol under which you install TPP -- i.e. things are not at

Re: [spctools-discuss] Re: TPP 5.2.0 installation error CentOS 7.8

2022-06-10 Thread 'Luis Mendoza' via spctools-discuss
Very nice, thank you! On Fri, Jun 10, 2022 at 4:18 PM Malcolm Cook wrote: > I just finished successful install on CentOS7 with the following notes: > > https://github.com/malcook/tpp_sandbox/blob/main/tpp_install_centos7.org > > I hope it might help someone else > > On Monday, October 12,

Re: [spctools-discuss] Re: TPP 6.1.0 Release is now available

2022-06-06 Thread 'Luis Mendoza' via spctools-discuss
Hi Malcolm, Thank you for the congrats, and for catching that in our build notes; we will correct it soon. In the "Pulling from Sourceforge" section, just follow the commented-out command instead of the last one: #svn checkout http://svn.code.sf.net/p/sashimi/code/tags/release_6.1.0 <-

[spctools-discuss] TPP @ ASMS 2022 -- Posters and Monday Workshop

2022-06-06 Thread 'Luis Mendoza' via spctools-discuss
Hello everyone, The SPC software tools team will be leading an evening *Workshop on Monday June 6th at 5:45pm in room M100 BC *during the ASMS Annual Conference. We will give a brief intro to the existing TPP tools, including new features in *TPP 6.1.0*, and then encourage discussion about them

[spctools-discuss] TPP 6.1.0 Release is now available

2022-06-03 Thread 'Luis Mendoza' via spctools-discuss
Announcing the official release of Trans-Proteomic Pipeline (TPP) 6.1.0 "Parhelion" We are proud to offer a major update to the Trans-Proteomic Pipeline (TPP) software, release 6.1.0. The software is available for Windows as well as Linux from all the usual locations (please see the section

Re: [spctools-discuss] MzXML2Search does not create files

2022-03-17 Thread 'Luis Mendoza' via spctools-discuss
Hello Max, There seems to be an issue with running this command via the UI (Petunia). Can you check if you get the same behavior when running on the command-line? Thanks for reporting this. --Luis On Wed, Mar 2, 2022 at 3:56 PM Maxence Le Vasseur < levasseurmaxe...@gmail.com> wrote: > Hi there,

Re: [spctools-discuss] MzXML2Search does not create files

2022-03-17 Thread 'Luis Mendoza' via spctools-discuss
On Wed, Mar 2, 2022 at 3:56 PM Maxence Le Vasseur < levasseurmaxe...@gmail.com> wrote: > Hi there, > > It seems that the MzXML2Search function does not create .dta (and possibly > other) files. Running the function from the Petunia web interface creates > the folder but the folder is empty after

Re: [spctools-discuss] TPP offline version?

2021-11-05 Thread 'Luis Mendoza' via spctools-discuss
Hello Jill, Yes, the TPP tools are run on your computer and no internet connection is required other than to download it. Or you can install from a flash drive or other similar media as well. The only time you might need internet is to follow certain links to extra information from the various

Re: [spctools-discuss] Cannot execute 'tpp_models.pl' by 'ProphetModels.pl' in TPP_5.2.0

2021-08-24 Thread 'Luis Mendoza' via spctools-discuss
Hello, Is /usr/local/tpp/bin/ in your PATH? If not, please add it and try again. You can test by typing which tpp_models.pl We would also recommend installing the latest version of TPP (6.0.0), which we recently released. Hope this helps, --Luis On Mon, Aug 23, 2021 at 9:53 AM Huang

[spctools-discuss] TPP 6.0.0 Release is now available

2021-08-11 Thread 'Luis Mendoza' via spctools-discuss
*Announcing the official release of Trans-Proteomic Pipeline (TPP) 6.0.0 "OmegaBlock".* We are proud to offer a major update to the Trans-Proteomic Pipeline (TPP) software, release 6.0.0. The software is available for Windows as well as Linux from all the usual locations (please see the section

Re: [spctools-discuss] Re: Exporting StPeter´s ng to mzid

2021-05-12 Thread 'Luis Mendoza' via spctools-discuss
Hello Valdemir, You can run the ProtXMLViewer on the command-line to do this. If you want one protein per line, with peptides as a comma-separated list: /FULL/PATH/TO/tpp/cgi-bin/ProtXMLViewer.pl -file -action ExportExcel If you want one peptide per line, with per-peptide stats as well:

Re: [spctools-discuss] TPP working directory - how to change

2021-02-09 Thread 'Luis Mendoza' via spctools-discuss
Hello Laco, The simplest way is to select the location of the data at the time you install TPP. If you already installed TPP, you can just run the installer again, making sure to specify the location of the data directory. (You can leave the actual TPP installation in C:\TPP if you'd like).

Re: [spctools-discuss] Error generation while converting raw files

2021-01-24 Thread 'Luis Mendoza' via spctools-discuss
Hello Giangiacomo, You can use the Lib2html tool to convert an splib into a webpage with clickable links to library spectra. You can launch this tool from SpectraST Tools -> Convert Libraries to HTML. Hope this helps, --Luis On Thu, Jan 21, 2021 at 12:09 AM giangiacomo beretta <

Re: [spctools-discuss] Is there a threshold of min. peptide probability that ProteinProphet uses to pick the peptides?

2020-12-23 Thread 'Luis Mendoza' via spctools-discuss
Hello James, Yes, these values are still hard-coded. If you wish to test alternative values, you can edit lines 958-959 and recompile: https://sourceforge.net/p/sashimi/code/HEAD/tree/trunk/trans_proteomic_pipeline/src/Validation/ProteinProphet/ProteinProphet.cpp MIN_WT = 0.5; MIN_PROB =

Re: [spctools-discuss] Related to St Peter tool in TPP

2020-12-15 Thread 'Luis Mendoza' via spctools-discuss
Hello Mehar, It seems that there was an issue with reading your user session cookie -- perhaps you followed an old link, reinstalled TPP while logged in, or your browser does not support cookies. I suggest starting a new browser session and try to run TPP again; let us know if the issue persists.

Re: [spctools-discuss] TPP seems never stop in windows......

2020-11-19 Thread 'Luis Mendoza' via spctools-discuss
Hello, This is likely an issue with the webserver not realizing that X!Tandem has finished running. Can you see if there are any "tandem.exe" processes running by opening the Task Manager? - If you do not see any and if you can see .tandem output files, it means that the job is done, but the

Re: [spctools-discuss] Not all the proteins in PeptideProphet appear in ProteinProphet

2020-11-17 Thread 'Luis Mendoza' via spctools-discuss
Hello Soroush, Great! Good to verify that it is working as designed. And you will not miss those zero probability proteins; they would just add even more time to the processing and make a larger output file, but with no gain in high quality results. Cheers, --Luis On Tue, Nov 17, 2020 at

Re: [spctools-discuss] Not all the proteins in PeptideProphet appear in ProteinProphet

2020-11-17 Thread 'Luis Mendoza' via spctools-discuss
Hello Soroush, ProteinProphet has baked-in defaults in the code that will skip over any peptide with (initial) probability < 0.05 (and won't use those below 0.20 post-NSP adjustment). Do any of those peptides that point to the missing proteins violate that rule? This is certainly something that

Re: [spctools-discuss] Re: Initiating Petunia GUI after TPP installation Windows Server 2019

2020-11-09 Thread 'Luis Mendoza' via spctools-discuss
Hi Miguel, Glad that you were able to solve this, and sorry we could not help, as we do not have access to a WS2019 machine. Thanks for the update, and hope TPP keeps being useful to your research! --Luis On Mon, Nov 9, 2020 at 4:17 PM Miguel Cosenza wrote: > Hello, > > I managed to solve

Re: [spctools-discuss] Linux Build Error

2020-11-06 Thread 'Luis Mendoza' via spctools-discuss
Hi Nathan, In case you want to build something that closely resembles 5.2.0, you can follow the steps on this page: http://tools.proteomecenter.org/wiki/index.php?title=TPP_5.2.0:_Installing_on_Ubuntu_18.04_LTS making sure to use revision 7909. Alternatively, you can use an older compiler to

Re: [spctools-discuss] ProteinProphet sticking in findDegenGroups3

2020-10-09 Thread 'Luis Mendoza' via spctools-discuss
Hello Emily, This is not a problem that we have seen much of. Do you know which version of ProteinProphet / TPP you are using? One potential issue is the large number of proteins (and peptides) that it is trying to process -- can you either monitor the memory usage of the machine when you run

Re: [spctools-discuss] LFQ

2020-10-02 Thread 'Luis Mendoza' via spctools-discuss
The other alternative is to run XPRESS in Label-free mode. For peaks where it can extract intensities, it will report two results: one for the integrated area with corresponding scan range, and one for the maximum peak intensity along with the scan number of that peak. You can view and export

Re: [spctools-discuss] ProtyQuant for comparing TPP samples (.pepXML)

2020-09-25 Thread 'Luis Mendoza' via spctools-discuss
This looks great! Thank you. Robert! --Luis On Fri, Sep 25, 2020 at 1:34 PM Robert wrote: > Hi, I just published a software for post-processing TPP .pepXML files > (validated by PeptideProphet). The GUI software has the following functions: > > - Calculation of protein inference/

Re: [spctools-discuss] Query related to PTMprophet results in TPP

2020-08-11 Thread 'Luis Mendoza' via spctools-discuss
Hello Mehar, Unfortunately PTMProphet does not calculate the protein position of the modified amino acids; we may add this to a future version of TPP. In the meantime, you would need to determine it from mapping the peptide sequence onto its corresponding protein, with the caveat that the

Re: [spctools-discuss] Percolator Error in TPP

2020-06-09 Thread 'Luis Mendoza' via spctools-discuss
Hi Gabby, So since Percolator is not actually running, it just means that the interface is confused. On that page where you see the command list, click on "View" (instead of "Kill Job"), and at the bottom of the page that comes up you will find a small link (at the end of "If your commands have

Re: [spctools-discuss] Percolator Error in TPP

2020-06-08 Thread 'Luis Mendoza' via spctools-discuss
Hello, Is this running on your local machine? If so, you can see if Percolator is still running by either opening the Task Manager (if on Windows) or executing the "ps" command (in Linux). Most likely, the command might have timed out due a very long running time, and the interface (Petunia) is

Re: [spctools-discuss] Kojak File not Found

2020-03-30 Thread 'Luis Mendoza' via spctools-discuss
Hi Lindsey, It seems that Kojak did not finish successfully, and it may be the reason why there is no output file. If you scroll down in the command-line output sub-window (the one in your screenshot, just scroll down more), you should be able to see diagnostic messages that may be helpful in

Re: [spctools-discuss] TPP 5.2 in Ubuntu 18.04 not showing plots/images in PepProphet nor ProtProphet models

2020-03-09 Thread 'Luis Mendoza' via spctools-discuss
Hello Alejandro, Can you share the html source? The most likely culprit is that it has the wrong location of the javascript files. It may also be the case that if you re-installed TPP after you generated the models files, they may need to be updated. The simplest way to do this is to delete

Re: [spctools-discuss] Re: Query related to Lorikeet viewer PTMprophet results in TPP

2020-03-05 Thread 'Luis Mendoza' via spctools-discuss
Hello, It seems that Lorikeet is unable to find the mzML file to extract and display the spectrum. Did you move the files after you conducted the analysis? If you look at the bottom of your screenshot, you can see that the file must be located under "/proteomics/jpanga/." Can you confirm

Re: [spctools-discuss] Failed, error code 256 when I want to run LIBRA with TPP

2020-02-20 Thread 'Luis Mendoza' via spctools-discuss
Hello Cindy, Please note that raw to mzML conversion via the msconvert program only works on Windows systems. Once the file is in the mzML format, you can carry on with analysis on Linux. Cheers, --Luis On Thu, Feb 20, 2020 at 4:48 AM Cindy Dieryckx wrote: > Hello, > > Thanks a lot but now,